2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide
TL;DR: 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide (CAS 477329-97-8) is a chemical compound with molecular formula C19H20BrN5OS and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide, 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N,N-diethylacetamide, 2-((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N,N-DIETHYLACETAMIDE, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
| Molecular Formula | C19H20BrN5OS |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 4.0523 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.0572 |
| Heavy Atoms | 27 |
| Complexity | 894.22327 |
Chemical Identifiers
| CAS Number | 477329-97-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3 |
Product Overview
2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide (CAS 477329-97-8), with molecular formula C19H20BrN5OS and molecular weight 445.06 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide.
Chemical Property Profile of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide
Property Insights of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide
The XLogP value of 4.0523 indicates that 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide?
The CAS number of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide is 477329-97-8.
What is the molecular formula of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide?
The molecular formula of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide is C19H20BrN5OS.
What is the molecular weight of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide?
The molecular weight of 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide is 445.06 g/mol.
Where can I buy 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide?
You can request a quote for 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-BR-PH)-5-(3-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.